3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide

C22H27ClN2O3 — CID 26162275

IUPAC3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2C)c1
InChIInChI=1S/C22H27ClN2O3/c1-4-11-25(12-5-2)22(27)17-7-6-8-19(14-17)24-21(26)15-28-20-10-9-18(23)13-16(20)3/h6-10,13-14H,4-5,11-12,15H2,1-3H3,(H,24,26)
InChIKeyJIZIEZJPBCYNBD-UHFFFAOYSA-N
MW402.92 g/mol
LogP4.93
Rot. Bonds9

About 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide

3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide (PubChem CID 26162275) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
PubChem CID26162275
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC Name3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2C)c1
InChIInChI=1S/C22H27ClN2O3/c1-4-11-25(12-5-2)22(27)17-7-6-8-19(14-17)24-21(26)15-28-20-10-9-18(23)13-16(20)3/h6-10,13-14H,4-5,11-12,15H2,1-3H3,(H,24,26)
InChIKeyJIZIEZJPBCYNBD-UHFFFAOYSA-N
XLogP4.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
CID 26162321
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17221916
3-[(2-phenoxyacetyl)amino]-N,N-dipropylbenzamide
CID 26162248
3-[[2-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54810385
N-benzyl-3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide
CID 28638799
3-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54810866
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 9230877
[2-(3-acetylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7779556
3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 31288850
2-(4-chloro-2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide
CID 170861952
3-[[2-(methylamino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820981
3-[[2-(ethylamino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820598

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide (CID 26162275) is 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2C)c1.
What is the InChIKey of 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide?
The InChIKey is JIZIEZJPBCYNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3/c1-4-11-25(12-5-2)22(27)17-7-6-8-19(14-17)24-21(26)15-28-20-10-9-18(23)13-16(20)3/h6-10,13-14H,4-5,11-12,15H2,1-3H3,(H,24,26).
What are the key properties of 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide?
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide has a molecular weight of 402.92 g/mol, XLogP of 4.93, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 26162275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).